Marvin 03201217132D 61 64 0 0 1 0 999 V2000 17.5535 -115.2008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3381 -114.9458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8860 -114.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2986 -115.9856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9513 -115.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5097 -114.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2186 -115.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4736 -115.9856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7837 -116.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7359 -115.2428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7799 -116.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2943 -113.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9888 -116.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9074 -114.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4340 -114.9461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8210 -115.4982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6919 -114.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2624 -114.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2231 -114.2319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4237 -115.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5480 -113.7266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5480 -112.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8335 -112.4891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8335 -114.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1190 -112.9016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1190 -113.7266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4045 -114.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4045 -112.4891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8334 -111.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2624 -112.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6901 -113.7266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9755 -114.1391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6900 -112.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2611 -113.7265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9756 -112.4891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2611 -112.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4045 -111.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1190 -111.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9756 -111.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5466 -112.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5466 -114.1390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9755 -114.9641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6899 -115.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6899 -116.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4045 -114.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2611 -111.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6901 -111.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6901 -110.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9756 -110.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2611 -110.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5466 -110.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8322 -110.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1177 -110.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 -110.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -110.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9742 -110.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2598 -110.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5453 -110.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8309 -110.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1164 -110.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8309 -109.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 6 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 15 1 0 0 0 0 8 13 1 6 0 0 0 10 14 1 0 0 0 0 14 17 2 0 0 0 0 7 8 1 0 0 0 0 12 14 1 0 0 0 0 15 16 1 6 0 0 0 15 18 1 0 0 0 0 7 19 1 6 0 0 0 15 20 1 1 0 0 0 21 22 1 0 0 0 0 23 22 1 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 1 0 0 0 25 28 1 6 0 0 0 23 29 1 1 0 0 0 22 30 1 1 0 0 0 21 18 1 1 0 0 0 32 31 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 31 27 1 6 0 0 0 28 37 1 0 0 0 0 37 38 2 0 0 0 0 35 39 1 1 0 0 0 36 40 1 6 0 0 0 34 41 1 1 0 0 0 32 42 1 6 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 39 46 1 0 0 0 0 37 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 M END > CHEBI:64256 > tunicamycin C1 > A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 14-methylpentadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. > 3 > tunicamycin VII; tunicamycin B; corynetoxin U-16I > (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(14-methylpentadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine; (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-14-methylpentadec-2-enamide > C39H64N4O16 > 844.94270 > 844.43173 > 0 > [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O > InChI=1S/C39H64N4O16/c1-20(2)14-12-10-8-6-4-5-7-9-11-13-15-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(3)45)31(51)30(50)24(19-44)57-37)18-22(46)35-33(53)34(54)36(58-35)43-17-16-26(48)42-39(43)55/h13,15-17,20,22-24,27-38,44,46,49-54H,4-12,14,18-19H2,1-3H3,(H,40,45)(H,41,47)(H,42,48,55)/b15-13+/t22-,23-,24-,27-,28-,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+/m1/s1 > ZOCXUHJGZXXIGQ-NPXWYGMKSA-N > 66081-36-5 > 66081-36-5 > CPD-19373 > 29844049; 29973921; 30445836; 33636028; 7061468 $$$$